Computational Chemistry

Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.

"...A clear and detailed overview of the concepts, methods and problems encountered using numerical path following."— Newsletter on Computational and Applied Mathematics, 1998"...this is an immensely thorough text, densely filled..." —Ultramiscroscopy, Vol. 80, 2000"...the volume would be a delight to the mathematically-oriented readers..." —Karmeshu and S Balasundaram, Journal of Scientific and Industrial Research, Vol. 59, 2000